SCHEMBL4374861

SCHEMBL4374861

CC(C)(C)OC(=O)NC1CCC(Nc2nc(NC3CCN(Cc4ccccc4)CC3)c3ncn(C4C=CCC4)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.43
▸ MERTK Q12866 2/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ GAS6 Q14393 1/20 0.43
▸ PDGFRA P16234 7/20 0.43
▸ KCNA3 P22001 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CCNE2 O96020 3/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CCNA2 P20248 3/20 0.39
▸ CCNA1 P78396 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4374864 1.00 FLT3 (0.43) FLT3MERTKTYRO3GAS6PDGFRA
SCHEMBL4372495 0.88 FLT3 (0.55) FLT3MERTKTYRO3GAS6PDGFRA
SCHEMBL4372328 0.88 FLT3 (0.55) FLT3MERTKTYRO3GAS6PDGFRA
SCHEMBL4375080 0.85 CDK2 (0.56) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL4377640 0.85 CDK2 (0.56) CDK2CCNE2CCNE1CCNA2CCNA1
SCHEMBL4372504 0.84 MERTK (0.39) FLT3MERTKPDGFRACDK2CCNA2
SCHEMBL4372507 0.84 MERTK (0.39) FLT3MERTKPDGFRACDK2CCNA2
SCHEMBL6753756 0.80 KMT2A (0.35) FLT3KCNA3CDK2CCNE2CCNE1
SCHEMBL915402 0.74 KMT2A (0.65) KCNA3KMT2AL3MBTL1MEN1
SCHEMBL4372753 0.72 CDK2 (0.49) FLT3PDGFRACDK2CCNE2CCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 — — EP disclosed
US-7429595-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2008-09-30 — — US disclosed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 — — US disclosed
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. 2004-12-09 — — US disclosed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 FLT3 1260/4885MERTK 3594/4885TYRO3 3897/4885
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents TYMP, TK1, SLC29A1 FLT3 1050/4885MERTK 3575/4885TYRO3 2611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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